| CAS Number | 1235439-86-7 |
| Catalog Number | AG01A8IH(AGN-PC-0WOC8P) |
| Chemical Name | 3-(4-Fluorophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 3-(4-fluorophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H11FO2/c12-10-3-1-7(2-4-10)8-5-9(6-8)11(13)14/h1-4,8-9H,5-6H2,(H,13,14) |
| InChI Key | FEVYXDFIUWVWRC-UHFFFAOYSA-N |
| MDL Number | MFCD16040068 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | OC(C1CC(C2=CC=C(F)C=C2)C1)=O |
| Synonyms | 3-(4-fluorophenyl)cyclobutane-1-carboxylic acid,
1235439-86-7,
AC1Q74B7,
SCHEMBL16700488,
SCHEMBL16700490,
SCHEMBL16708936,
ZINC47843964,
AKOS023166110,
ZINC306352584,
MCULE-3032501072,
NE36099,
SB22300,
CS-0056971,
EN300-61702,
Z1259335845,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number